La2Y2Sb3
Alexandria ALEXAlex-ID: agm009200260 · Space group: I2_13 (#199)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_92_spg199
La4Sb3 Y5Sb3 LaSb
2024-05-06 00:00:39.088664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009200260).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm009200260
data_agm009200260
_cell_length_a 8.18132
_cell_length_b 8.18132
_cell_length_c 8.18132
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 421.54947
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.84825 0.50000 0.00000 1.00000
La2 La 0.50000 0.00000 0.84825 1.00000
La3 La 0.65175 0.65175 0.65175 1.00000
La4 La 0.00000 0.84825 0.50000 1.00000
Y1 Y 0.50000 0.00000 0.36300 1.00000
Y2 Y 0.36300 0.50000 0.00000 1.00000
Y3 Y 0.13700 0.13700 0.13700 1.00000
Y4 Y 0.00000 0.36300 0.50000 1.00000
Sb1 Sb 0.36265 0.25000 0.61265 1.00000
Sb2 Sb 0.13735 0.75000 0.88735 1.00000
Sb3 Sb 0.88735 0.13735 0.75000 1.00000
Sb4 Sb 0.61265 0.36265 0.25000 1.00000
Sb5 Sb 0.75000 0.88735 0.13735 1.00000
Sb6 Sb 0.25000 0.61265 0.36265 1.00000
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